AH51135
748810-28-8 | Vernakalant hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AH51135
ChemicalName
Vernakalant hydrochloride
CasNumber
748810-28-8
MolecularFormula
C20H32ClNO4
MolecularWeight
385.9254
MdlNumber
MFCD09833303
Smiles
COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](C2)O)ccc1OC.Cl
Complexity
394
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
3
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
7
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CatalogNumber: AH51135
ChemicalName: Vernakalant hydrochloride
CasNumber: 748810-28-8
MolecularFormula: C20H32ClNO4
MolecularWeight: 385.9254
MdlNumber: MFCD09833303
Smiles: COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](C2)O)ccc1OC.Cl
Complexity: 394
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AH51135
ChemicalName:
Vernakalant hydrochloride
CasNumber:
748810-28-8
MolecularFormula:
C20H32ClNO4
MolecularWeight:
385.9254
MdlNumber:
MFCD09833303
Smiles:
COc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@H](C2)O)ccc1OC.Cl
Complexity:
394
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
7
CatalogNumber: __
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CasNumber: __
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Smiles: CC[C@H]1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC1CC1
Complexity: __
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Smiles:
CC[C@H]1N(C(C)C)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)N[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC1CC1
Complexity:
__
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C
Complexity: __
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Smiles:
COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Smiles: CCC[C@@H](c1ccccc1)NC(=O)/C(=C/c1cccc(n1)Br)/C#N
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@@H](c1ccccc1)NC(=O)/C(=C/c1cccc(n1)Br)/C#N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__